2-O-tert-butyl 4-O-methyl (2R,3R,4R)-3-methyl-5,5-diphenylpyrrolidine-2,4-dicarboxylate

C24H29NO4 — CID 16658312

IUPAC2-O-tert-butyl 4-O-methyl (2R,3R,4R)-3-methyl-5,5-diphenylpyrrolidine-2,4-dicarboxylate
SMILESCOC(=O)[C@@H]1[C@@H](C)[C@H](C(=O)OC(C)(C)C)NC1(c1ccccc1)c1ccccc1
InChIInChI=1S/C24H29NO4/c1-16-19(21(26)28-5)24(17-12-8-6-9-13-17,18-14-10-7-11-15-18)25-20(16)22(27)29-23(2,3)4/h6-16,19-20,25H,1-5H3/t16-,19+,20-/m1/s1
InChIKeyYVRLCDQUOMFARK-LSTHTHJFSA-N
MW395.50 g/mol
LogP3.67
Rot. Bonds4

About 2-O-tert-butyl 4-O-methyl (2R,3R,4R)-3-methyl-5,5-diphenylpyrrolidine-2,4-dicarboxylate

2-O-tert-butyl 4-O-methyl (2R,3R,4R)-3-methyl-5,5-diphenylpyrrolidine-2,4-dicarboxylate (PubChem CID 16658312) has the molecular formula C24H29NO4 and a molecular weight of 395.50 g/mol. Its IUPAC name is 2-O-tert-butyl 4-O-methyl (2R,3R,4R)-3-methyl-5,5-diphenylpyrrolidine-2,4-dicarboxylate.

Molecular Properties

Compound Name2-O-tert-butyl 4-O-methyl (2R,3R,4R)-3-methyl-5,5-diphenylpyrrolidine-2,4-dicarboxylate
PubChem CID16658312
Molecular FormulaC24H29NO4
Molecular Weight395.50 g/mol
Exact Mass395.21
IUPAC Name2-O-tert-butyl 4-O-methyl (2R,3R,4R)-3-methyl-5,5-diphenylpyrrolidine-2,4-dicarboxylate
SMILESCOC(=O)[C@@H]1[C@@H](C)[C@H](C(=O)OC(C)(C)C)NC1(c1ccccc1)c1ccccc1
InChIInChI=1S/C24H29NO4/c1-16-19(21(26)28-5)24(17-12-8-6-9-13-17,18-14-10-7-11-15-18)25-20(16)22(27)29-23(2,3)4/h6-16,19-20,25H,1-5H3/t16-,19+,20-/m1/s1
InChIKeyYVRLCDQUOMFARK-LSTHTHJFSA-N
XLogP3.67
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.50
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-O-tert-butyl 4-O-methyl (2R,3R,4R)-3-methyl-5,5-diphenylpyrrolidine-2,4-dicarboxylate with MolForge

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Related Compounds

diethyl (3R,4R,5S)-5-(2-fluorophenyl)-4-formyl-3-methylpyrrolidine-2,2-dicarboxylate
CID 135005936
4-O-tert-butyl 2-O-methyl (2R,3R,4R,5S)-2-methyl-5-phenyl-3-(trifluoromethyl)pyrrolidine-2,4-dicarboxylate
CID 101538848
dimethyl (2R,4S,5S)-5-(4-fluorophenyl)pyrrolidine-2,4-dicarboxylate
CID 101797919
4-O-ethyl 2-O-methyl (2R,3S,4R,5S)-2-methyl-5-phenyl-3-(trifluoromethyl)pyrrolidine-2,4-dicarboxylate
CID 134945187
4-O-tert-butyl 2-O-methyl (2R,3R,4R,5S)-5-phenyl-3-(trifluoromethyl)pyrrolidine-2,4-dicarboxylate
CID 134945190
4-O-tert-butyl 2-O-methyl (2R,3R,4R,5S)-5-(2-methylphenyl)-3-(trifluoromethyl)pyrrolidine-2,4-dicarboxylate
CID 134945191
4-O-ethyl 2-O-methyl (2R,3S,4R,5S)-5-phenyl-3-(trifluoromethyl)pyrrolidine-2,4-dicarboxylate
CID 134945217
3-O,4-O-diethyl 2-O-methyl (2S,3R,4S,5R)-5-(4-fluorophenyl)pyrrolidine-2,3,4-tricarboxylate
CID 134954677
3-O,4-O-diethyl 2-O-methyl (2S,3R,4S,5R)-5-(4-fluorophenyl)-2-methylpyrrolidine-2,3,4-tricarboxylate
CID 134954681
4-O-ethyl 2-O-methyl (2S,3S,4R,5S)-5-(4-chlorophenyl)-3-phenyl-4-(trifluoromethyl)pyrrolidine-2,4-dicarboxylate
CID 134957507
4-O-ethyl 2-O-methyl (2S,3S,4R,5S)-5-(4-cyanophenyl)-3-phenyl-4-(trifluoromethyl)pyrrolidine-2,4-dicarboxylate
CID 134957508
4-O-ethyl 2-O-methyl (2S,3S,4R,5S)-3,5-diphenyl-4-(trifluoromethyl)pyrrolidine-2,4-dicarboxylate
CID 134957509

Frequently Asked Questions

What is the IUPAC name of 2-O-tert-butyl 4-O-methyl (2R,3R,4R)-3-methyl-5,5-diphenylpyrrolidine-2,4-dicarboxylate?
The IUPAC name of 2-O-tert-butyl 4-O-methyl (2R,3R,4R)-3-methyl-5,5-diphenylpyrrolidine-2,4-dicarboxylate (CID 16658312) is 2-O-tert-butyl 4-O-methyl (2R,3R,4R)-3-methyl-5,5-diphenylpyrrolidine-2,4-dicarboxylate.
What is the SMILES notation for 2-O-tert-butyl 4-O-methyl (2R,3R,4R)-3-methyl-5,5-diphenylpyrrolidine-2,4-dicarboxylate?
The canonical SMILES for 2-O-tert-butyl 4-O-methyl (2R,3R,4R)-3-methyl-5,5-diphenylpyrrolidine-2,4-dicarboxylate is COC(=O)[C@@H]1[C@@H](C)[C@H](C(=O)OC(C)(C)C)NC1(c1ccccc1)c1ccccc1.
What is the InChIKey of 2-O-tert-butyl 4-O-methyl (2R,3R,4R)-3-methyl-5,5-diphenylpyrrolidine-2,4-dicarboxylate?
The InChIKey is YVRLCDQUOMFARK-LSTHTHJFSA-N. The full InChI is InChI=1S/C24H29NO4/c1-16-19(21(26)28-5)24(17-12-8-6-9-13-17,18-14-10-7-11-15-18)25-20(16)22(27)29-23(2,3)4/h6-16,19-20,25H,1-5H3/t16-,19+,20-/m1/s1.
What are the key properties of 2-O-tert-butyl 4-O-methyl (2R,3R,4R)-3-methyl-5,5-diphenylpyrrolidine-2,4-dicarboxylate?
2-O-tert-butyl 4-O-methyl (2R,3R,4R)-3-methyl-5,5-diphenylpyrrolidine-2,4-dicarboxylate has a molecular weight of 395.50 g/mol, XLogP of 3.67, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-O-tert-butyl 4-O-methyl (2R,3R,4R)-3-methyl-5,5-diphenylpyrrolidine-2,4-dicarboxylate is sourced from PubChem (CID 16658312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).